4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[3-(3,4-dimethoxyphenyl)-4-mesyl-2-methyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H24N2O6S/c1-6-24-22(26)16(12-23-24)21(25)15-8-10-19(31(5,27)28)20(13(15)2)14-7-9-17(29-3)18(11-14)30-4/h7-12,23H,6H2,1-5H3